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Information card for entry 4135054
Preview
Coordinates | 4135054.cif |
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Original paper (by DOI) | HTML |
Chemical name | (mu2-3,3,3',3'-tetramethyl-1,1'-spirobi(indan)-4,4'-7,7'-tetrabromo-5,5'-6,6'-tetraolato)-bis(tris (2-pyridylmethyl)amine)-di-cobalt(III) bis(perchlorate) acetone solvate |
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Formula | C68.58 H75.16 Br4 Cl2 Co2 N8 O15.86 |
Calculated formula | C68.5815 H75.163 Br4 Cl2 Co2 N8 O15.8605 |
Title of publication | Understanding the Origin of One- or Two-Step Valence Tautomeric Transitions in Bis(dioxolene)-Bridged Dinuclear Cobalt Complexes. |
Authors of publication | Gransbury, Gemma K.; Livesay, Brooke N.; Janetzki, Jett T.; Hay, Moya A.; Gable, Robert W.; Shores, Matthew P.; Starikova, Alyona; Boskovic, Colette |
Journal of publication | Journal of the American Chemical Society |
Year of publication | 2020 |
a | 13.4672 ± 0.0004 Å |
b | 15.7188 ± 0.0004 Å |
c | 20.5224 ± 0.0005 Å |
α | 111.532 ± 0.002° |
β | 90.341 ± 0.002° |
γ | 109.649 ± 0.003° |
Cell volume | 3764.1 ± 0.2 Å3 |
Cell temperature | 130.01 ± 0.1 K |
Ambient diffraction temperature | 130.01 ± 0.1 K |
Number of distinct elements | 7 |
Space group number | 1 |
Hermann-Mauguin space group symbol | P 1 |
Hall space group symbol | P 1 |
Residual factor for all reflections | 0.0401 |
Residual factor for significantly intense reflections | 0.0371 |
Weighted residual factors for significantly intense reflections | 0.0958 |
Weighted residual factors for all reflections included in the refinement | 0.098 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.046 |
Diffraction radiation probe | x-ray |
Diffraction radiation wavelength | 1.54184 Å |
Diffraction radiation type | CuKα |
Has coordinates | Yes |
Has disorder | Yes |
Has Fobs | No |
For the version history of this entry, please navigate to main COD server.
The link is: https://www.crystallography.net/4135054.html
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